ChemSpider 2D Image | adonirubin | C40H52O3

adonirubin

  • Molecular FormulaC40H52O3
  • Average mass580.839 Da
  • Monoisotopic mass580.391663 Da
  • ChemSpider ID17220908
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-Hydroxy-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3S)-3-Hydroxy-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3S)-3-Hydroxy-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
adonirubin
Phoenicoxanthin
β,β-Carotene-4,4'-dione, 3-hydroxy-, (3S)- [ACD/Index Name]
3'-hydroxy-4,4'-diketo-&β;,&β;-carotene
  • Miscellaneous
    • Compound Source:

      3-hydroxyechinenone + 2 a reduced electron acceptor + 2 oxygen -> adonirubin + 2 an oxidized electron acceptor + 3 H2O PlantCyc CPD-7849, CPD-7849, CPD-7849
      astaxanthin biosynthesis (bacteria, fungi, algae) PlantCyc CPD-7849, CPD-7849, CPD-7849
      astaxanthin biosynthesis (flowering plants) PlantCyc CPD-7849
      canthaxanthin + 4 a reduced ferredoxin [iron-sulfur] cluster + 2 oxygen + 4 H+ -> 3S,3'S-astaxanthin + 4 an oxidized ferredoxin [iron-sulfur] cluster + 2 H2O PlantCyc CPD-7849
      Chlamydomonas reinhardtii PlantCyc CPD-7849
      Linum usitatissimum PlantCyc CPD-7849
      Volvox carteri PlantCyc CPD-7849
    • Bio Activity:

      3,4',4'-trihydroxyechinenone -> adonirubin + H2O PlantCyc CPD-7849, CPD-7849, CPD-7849
      3-hydroxyechinenone + 2 a reduced electron acceptor + 2 oxygen -> adonirubin + 2 an oxidized electron acceptor + 3 H2O PlantCyc CPD-7849, CPD-7849, CPD-7849
      adonirubin + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ + oxygen -> 3S,3'S-astaxanthin + 2 an oxidized ferredoxin [iron-sulfur] cluster + H2O PlantCyc CPD-7849, CPD-7849, CPD-7849
      canthaxanthin + 2 a reduced ferredoxin [iron-sulfur] cluster + oxygen + 2 H+ -> adonirubin + 2 an oxidized ferredoxin [iron-sulfur] cluster + H2O PlantCyc CPD-7849, CPD-7849, CPD-7849

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 745.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 418.5±29.4 °C
Index of Refraction: 1.585
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.43
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1127453.75
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1127447.63
Polar Surface Area: 54 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 560.1±3.0 cm3

Click to predict properties on the Chemicalize site






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